Optimised PDB entry 1rz7



Structure
SpacegroupP 21 21 21
Cell dimensionsa: 63.485 Åb: 72.951 Åc: 101.921 Å
α: 90.00°β: 90.00°γ: 90.00°
Resolution2.00 Å

Experimental data
ReflectionsAll: 32596Test set: 3250 (10.0%)
Resolution range15.23 Å2.00 Å

R-values etc.
From PDB headerCalculated from dataAfter re-refinementAfter re-refinement and rebuilding
R0.20100.19370.16340.1623
R-free0.23100.22360.19710.1979
σR-free 0.00390.00350.0035
Z(R-free) 4.101.430.83

WHAT_CHECK validation
Original PDB entryRe-refined (only)Re-refined and rebuilt
1st generation packing quality10.3720.4320.459
2nd generation packing quality10.8231.0631.062
Ramachandran plot appearance1-0.2040.8080.779
Chi-1/Chi-2 rotamer normality1-1.794-1.764-1.486
Backbone conformation11.1701.2841.328
Bond length RMS Z-score20.2610.5590.552
Bond angle RMS Z-score20.6000.7220.712
Total number of bumps3351111
Unsatisfied H-bond donors/acceptors3201414
LinkLinkLink

1 Higher is better, 2 Should be lower than 1.000, 3 Fewer is better


Density map fit (real-space correlation coefficient)
Significantly improved residues85
Significantly deteriorated residues0
Changes of all residuesPlot

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